(2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

C16H10ClNO2S2 — CID 86775979

IUPAC(2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C(/C=c1/[nH]c(=O)/c(=C/c2cccs2)s1)c1ccccc1Cl
InChIInChI=1S/C16H10ClNO2S2/c17-12-6-2-1-5-11(12)13(19)9-15-18-16(20)14(22-15)8-10-4-3-7-21-10/h1-9H,(H,18,20)/b14-8-,15-9-
InChIKeySDAHNJAIIJJZFV-SFGFDRCGSA-N
MW347.85 g/mol
LogP2.64
Rot. Bonds3

About (2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

(2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 86775979) has the molecular formula C16H10ClNO2S2 and a molecular weight of 347.85 g/mol. Its IUPAC name is (2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID86775979
Molecular FormulaC16H10ClNO2S2
Molecular Weight347.85 g/mol
Exact Mass346.98
IUPAC Name(2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C(/C=c1/[nH]c(=O)/c(=C/c2cccs2)s1)c1ccccc1Cl
InChIInChI=1S/C16H10ClNO2S2/c17-12-6-2-1-5-11(12)13(19)9-15-18-16(20)14(22-15)8-10-4-3-7-21-10/h1-9H,(H,18,20)/b14-8-,15-9-
InChIKeySDAHNJAIIJJZFV-SFGFDRCGSA-N
XLogP2.64
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 86775979) is (2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is O=C(/C=c1/[nH]c(=O)/c(=C/c2cccs2)s1)c1ccccc1Cl.
What is the InChIKey of (2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is SDAHNJAIIJJZFV-SFGFDRCGSA-N. The full InChI is InChI=1S/C16H10ClNO2S2/c17-12-6-2-1-5-11(12)13(19)9-15-18-16(20)14(22-15)8-10-4-3-7-21-10/h1-9H,(H,18,20)/b14-8-,15-9-.
What are the key properties of (2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
(2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 347.85 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-2-[2-(2-chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 86775979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).